[HTML][HTML] Semilocal exchange-correlation potentials for solid-state calculations: Current status and future directions
Kohn-Sham (KS) density functional theory (DFT) is a very efficient method for calculating
various properties of solids as, for instance, the total energy, the electron density, or the …
various properties of solids as, for instance, the total energy, the electron density, or the …
[HTML][HTML] Perspective: Fundamental aspects of time-dependent density functional theory
NT Maitra - The Journal of Chemical Physics, 2016 - pubs.aip.org
In the thirty-two years since the birth of the foundational theorems, time-dependent density
functional theory has had a tremendous impact on calculations of electronic spectra and …
functional theory has had a tremendous impact on calculations of electronic spectra and …
Multichannel direct detection of light dark matter: Target comparison
Direct-detection experiments for light dark matter are making enormous leaps in reaching
previously unexplored model space. Several recent proposals rely on collective excitations …
previously unexplored model space. Several recent proposals rely on collective excitations …
SALMON: Scalable ab-initio light–matter simulator for optics and nanoscience
Abstract SALMON (Scalable Ab-initio Light–Mattersimulator for Optics and Nanoscience,
http://salmon-tddft. jp) is a software package for the simulation of electron dynamics and …
http://salmon-tddft. jp) is a software package for the simulation of electron dynamics and …
Determining the optimum thickness for high harmonic generation from nanoscale thin films: An ab initio computational study
S Yamada, K Yabana - Physical Review B, 2021 - APS
We theoretically investigate high harmonic generation (HHG) from silicon thin films with
thicknesses from a few atomic layers to a few hundreds of nanometers, to determine the …
thicknesses from a few atomic layers to a few hundreds of nanometers, to determine the …
Photoexcitation in solids: First‐principles quantum simulations by real‐time TDDFT
An efficient and state‐of‐the‐art real‐time time‐dependent density functional theory (rt‐
TDDFT) method is presented, as implemented in the time‐dependent ab initio package …
TDDFT) method is presented, as implemented in the time‐dependent ab initio package …
[HTML][HTML] Ultrafast charge ordering by self-amplified exciton–phonon dynamics in TiSe2
The origin of charge density waves (CDWs) in TiSe 2 has long been debated, mainly due to
the difficulties in identifying the timescales of the excitonic pairing and electron–phonon …
the difficulties in identifying the timescales of the excitonic pairing and electron–phonon …
Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set
The interaction of laser fields with solid-state systems can be modeled efficiently within the
velocity-gauge formalism of real-time time dependent density functional theory (RT-TDDFT) …
velocity-gauge formalism of real-time time dependent density functional theory (RT-TDDFT) …
[HTML][HTML] A deep learning-based predictive simulator for the optimization of ultrashort pulse laser drilling
K Shimahara, S Tani, H Sakurai… - Communications …, 2023 - nature.com
Ultrashort pulse laser drilling is a promising method for the fabrication of microchannels in
dielectric materials. Due to the complexity of the process, there is a strong demand for …
dielectric materials. Due to the complexity of the process, there is a strong demand for …
[HTML][HTML] Ultrafast laser processing of diamond materials: a review
T Apostolova, V Kurylo, I Gnilitskyi - Frontiers in Physics, 2021 - frontiersin.org
Diamond laser engineering is of great importance for designing devices, which find
applications in radiation sensing and quantum technologies. A review of the present state of …
applications in radiation sensing and quantum technologies. A review of the present state of …